(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide

C11H15ClN2O3S — CID 41466614

IUPAC(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(Cl)cc1N([C@H](C)C(N)=O)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-7-4-5-9(12)6-10(7)14(18(3,16)17)8(2)11(13)15/h4-6,8H,1-3H3,(H2,13,15)/t8-/m1/s1
InChIKeyXUIKWGSQAQQYBU-MRVPVSSYSA-N
MW290.77 g/mol
LogP1.29
Rot. Bonds4

About (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide

(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 41466614) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
PubChem CID41466614
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(Cl)cc1N([C@H](C)C(N)=O)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-7-4-5-9(12)6-10(7)14(18(3,16)17)8(2)11(13)15/h4-6,8H,1-3H3,(H2,13,15)/t8-/m1/s1
InChIKeyXUIKWGSQAQQYBU-MRVPVSSYSA-N
XLogP1.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 41466602
2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
CID 50946272
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
CID 7393668
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 46769313
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 133229385
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide
CID 125064270
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 133187707
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132671407
ethyl 3-chloro-4-[[(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 30394112
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide (CID 41466614) is (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(Cl)cc1N([C@H](C)C(N)=O)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is XUIKWGSQAQQYBU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-7-4-5-9(12)6-10(7)14(18(3,16)17)8(2)11(13)15/h4-6,8H,1-3H3,(H2,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide?
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 290.77 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 41466614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).